3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide

C21H23N5O — CID 52975448

IUPAC3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)C1CNNC1c1ccccc1
InChIInChI=1S/C21H23N5O/c27-21(19-14-23-25-20(19)18-5-2-1-3-6-18)22-13-16-7-9-17(10-8-16)15-26-12-4-11-24-26/h1-12,19-20,23,25H,13-15H2,(H,22,27)
InChIKeyPSWJWAOJVMCAMH-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.01
Rot. Bonds6

About 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide

3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide (PubChem CID 52975448) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
PubChem CID52975448
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)C1CNNC1c1ccccc1
InChIInChI=1S/C21H23N5O/c27-21(19-14-23-25-20(19)18-5-2-1-3-6-18)22-13-16-7-9-17(10-8-16)15-26-12-4-11-24-26/h1-12,19-20,23,25H,13-15H2,(H,22,27)
InChIKeyPSWJWAOJVMCAMH-UHFFFAOYSA-N
XLogP2.01
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
CID 52975465
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120924767
(2R,4S)-4-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138990
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
cis-(1R,3S)-2,2-dimethyl-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122099583
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134080169
N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 52989302
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
CID 52975623
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119291279

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide (CID 52975448) is 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide is O=C(NCc1ccc(Cn2cccn2)cc1)C1CNNC1c1ccccc1.
What is the InChIKey of 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide?
The InChIKey is PSWJWAOJVMCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(19-14-23-25-20(19)18-5-2-1-3-6-18)22-13-16-7-9-17(10-8-16)15-26-12-4-11-24-26/h1-12,19-20,23,25H,13-15H2,(H,22,27).
What are the key properties of 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide?
3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 52975448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).